N-[4-[2-(3,4-dimethoxyphenyl)ethyl]-2-ethyl-3-oxidanylidene-5H-1,4-benzoxazepin-7-yl]cyclopropanecarboxamide

Systemtic Name: N-[4-[2-(3,4-dimethoxyphenyl)ethyl]-2-ethyl-3-oxidanylidene-5H-1,4-benzoxazepin-7-yl]cyclopropanecarboxamide Openeye Name: N-[4-[2-(3,4-dimethoxyphenyl)ethyl]-2-ethyl-3-oxo-5H-1,4-benzoxazepin-7-yl]cyclopropanecarboxamide CAS Name: N-[4-[2-(3,4-dimethoxyphenyl)ethyl]-2-ethyl-3-oxo-5H-1,4-benzoxazepin-7-yl]cyclopropanecarboxamide IUPAC Name: N-[4-[2-(3,4-dimethoxyphenyl)ethyl]-2-ethyl-3-oxo-5H-1,4-benzoxazepin-7-yl]cyclopropanecarboxamide Traditional Name: N-(2-ethyl-4-homoveratryl-3-keto-5H-1,4-benzoxazepin-7-yl)cyclopropanecarboxamide Formula: C25H30N2O5 MolecularWeight: 438.5161

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C(=O)N(CC2=C(O1)C=CC(=C2)NC(=O)C3CC3)CCC4=CC(=C(C=C4)OC)OC

Isomeric SMILES

CCC1C(=O)N(CC2=C(O1)C=CC(=C2)NC(=O)C3CC3)CCC4=CC(=C(C=C4)OC)OC

InChI

InChI=1S/C25H30N2O5/c1-4-20-25(29)27(12-11-16-5-9-22(30-2)23(13-16)31-3)15-18-14-19(8-10-21(18)32-20)26-24(28)17-6-7-17/h5,8-10,13-14,17,20H,4,6-7,11-12,15H2,1-3H3,(H,26,28)